CID 164958869

C13H17Cl2O2Si — CID 164958869

IUPAC—
SMILESCCCCC1(C)OCc2cc([Si](Cl)Cl)ccc2O1
InChIInChI=1S/C13H17Cl2O2Si/c1-3-4-7-13(2)16-9-10-8-11(18(14)15)5-6-12(10)17-13/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyKLSQSUWMBNOZBU-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.67
Rot. Bonds4

About CID 164958869

CID 164958869 (PubChem CID 164958869) has the molecular formula C13H17Cl2O2Si and a molecular weight of 304.27 g/mol.

Molecular Properties

Compound NameCID 164958869
PubChem CID164958869
Molecular FormulaC13H17Cl2O2Si
Molecular Weight304.27 g/mol
Exact Mass303.04
IUPAC Name—
SMILESCCCCC1(C)OCc2cc([Si](Cl)Cl)ccc2O1
InChIInChI=1S/C13H17Cl2O2Si/c1-3-4-7-13(2)16-9-10-8-11(18(14)15)5-6-12(10)17-13/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyKLSQSUWMBNOZBU-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dichloro-methyl-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816153
[acetyloxy-(2-butyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilyl] acetate
CID 164816304
trichloro-[3-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)propyl]silane
CID 164815662
CID 165001242
CID 165001242
diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816366
3-(2,6-dimethyl-4H-1,3-benzodioxin-2-yl)propan-1-amine
CID 115062918
diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
CID 164816172
dichloro-(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)silane
CID 164816242
CID 164958879
CID 164958879
trichloro-[2-methyl-2-(2-methylpropyl)-4H-1,3-benzodioxin-6-yl]silane
CID 164815972
2-(6-bromo-2-methyl-4H-1,3-benzodioxin-2-yl)acetic acid
CID 115062931
CID 164981926
CID 164981926

Frequently Asked Questions

What is the IUPAC name of CID 164958869?
The IUPAC name of CID 164958869 (CID 164958869) is not available.
What is the SMILES notation for CID 164958869?
The canonical SMILES for CID 164958869 is CCCCC1(C)OCc2cc([Si](Cl)Cl)ccc2O1.
What is the InChIKey of CID 164958869?
The InChIKey is KLSQSUWMBNOZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2O2Si/c1-3-4-7-13(2)16-9-10-8-11(18(14)15)5-6-12(10)17-13/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of CID 164958869?
CID 164958869 has a molecular weight of 304.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164958869 is sourced from PubChem (CID 164958869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).